C073-4960 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(2-ethylpiperidino)ethyl]-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

C073-4960 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(2-ethylpiperidino)ethyl]-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
C073-4960 Screening compound: (1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(2-ethylpiperidino)ethyl]-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C073-4960
(1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(2-ethylpiperidino)ethyl]-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C073-4960

Molecular Formula

C34H48N4O4 (C34 H48 N4 O4)

Compound Name

(1S,2R,5S,7R)-N~2~-cyclohexyl-3-[2-(2-ethylpiperidino)ethyl]-N~6~-(4-isopropylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5S7R)-N2-cyclohexyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-4-oxo-N6-[4-(propan-2-yl)phenyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CCC1N(CCN(C([C@]2([C@H]3C4C(Nc5ccc(C(C)C)cc5)=O)O[C@H]4C=C2)C(NC2CCCCC2)=O)C3=O)CCCC1

InChI

InChI=1S/C34H48N4O4/c1-4-26-12-8-9-19-37(26)20-21-38-30(32(40)36-24-10-6-5-7-11-24)34-18-17-27(42-34)28(29(34)33(38)41)31(39)35-25-15-13-23(14-16-25)22(2)3/h13-18,22,24,26-30H,4-12,19-21H2,1-3H3,(H,35,39)(H,36,40)/t26?,27-,28?,29-,30?,34-/m0/s1

InChI Key

OZEFJHJIZICZPC-ONYAHBSDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-5.20

Polar Surface Area

75.570

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

67.60

C073-4960 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C073-4960 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C073-4960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C073-4960
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C073-4960 available by request